HRID2133612

反应详情

EQUATION

反应方程式

REACTANTS

反应物

HCID813

Potassium cation

K+

2 次

HCID947

Nitrogen

HCID962

Water

H2O

HCID8071

未命名化合物

HCID19660

Carbonate

CO3-2

HCID76430

Thiazole, 2-bromo-

C3H2BrNS

HCID2757964

3-Cyano-4-fluorophenylboronic acid

C7H5BFNO2

结构：c1ccc([PH](c2ccccc2)(c2ccccc2)[Pd]([PH](c2ccccc2)(c2ccccc2)c2ccccc2)([PH](c2ccccc2)(c2ccccc2)c2ccccc2)[PH](c2ccccc2)(c2ccccc2)c2ccccc2)cc1

HCID178420554

未命名化合物

PRODUCTS

生成物

HCID58367125

未命名化合物

来源与证据

来源类型: Open Reaction Database
ORD 记录: ord-0bfbd5c411c847f6ab8799854d7d7336
来源数据集: Training data from https://doi.org/10.1039/C8SC04228D (4/10)
DOI: 10.1039/C8SC04228D
来源说明: Training data from https://doi.org/10.1039/C8SC04228D (4/10)

反应 SMILES

[Br:1][c:2]1[s:3][cH:4][cH:5][n:6]1.[C:7](#[N:8])[c:9]1[cH:10][c:11]([B:16]([OH:17])[OH:18])[cH:12][cH:13][c:14]1[F:15].[CH3:104][O:105][CH2:106][CH2:107][O:108][CH3:109].[K+:19].[K+:20].[N:25]#[N:26].[O-:21][C:22]([O-:23])=[O:24].[OH2:110].[cH:27]1[cH:28][cH:29][c:30]([P:31]([Pd:32]([P:33]([c:34]2[cH:35][cH:36][cH:37][cH:38][cH:39]2)([c:40]2[cH:41][cH:42][cH:43][cH:44][cH:45]2)[c:46]2[cH:47][cH:48][cH:49][cH:50][cH:51]2)([P:52]([c:53]2[cH:54][cH:55][cH:56][cH:57][cH:58]2)([c:59]2[cH:60][cH:61][cH:62][cH:63][cH:64]2)[c:65]2[cH:66][cH:67][cH:68][cH:69][cH:70]2)[P:71]([c:72]2[cH:73][cH:74][cH:75][cH:76][cH:77]2)([c:78]2[cH:79][cH:80][cH:81][cH:82][cH:83]2)[c:84]2[cH:85][cH:86][cH:87][cH:88][cH:89]2)([c:90]2[cH:91][cH:92][cH:93][cH:94][cH:95]2)[c:96]2[cH:97][cH:98][cH:99][cH:100][cH:101]2)[cH:102][cH:103]1>>[c:2]1(-[c:11]2[cH:10][c:9]([C:7]#[N:8])[c:14]([F:15])[cH:13][cH:12]2)[s:3][cH:4][cH:5][n:6]1